Chemical ID: 4756091

c1ccc(cc1)C(=O)Nc2cccc(c2C#N)F
Chemical ID:
4756091
Name [?]:
N-(2-cyano-3-fluoro-phenyl)benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2cccc(c2C#N)F
InChi [?]:
InChI=1/C14H9FN2O/c15-12-7-4-8-13(11(12)9-16)17-14(18)10-5-2-1-3-6-10/h1-8H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,3,5,13,11,16,4,15,14,10,7,18,17,9,8/E:(2,3)(5,6)/rA:18nCCCCCCCONCCCCCCCNF/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;t16;s14;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9FN2O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.86257
Area:418.841
Solvation:-2.60845
Coulombic:-29.9755
Bond Count [?]
All:19
Single:11
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:240.233
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.31
LogP (Chemaxon):3.06

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Descriptor Annotations

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